Blind Prediction of Binding Affinities for Charged Supramolecular Host–Guest Systems: Achievements and Shortcomings of DFT-D3

Published 2014 View Full Article

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Title
Blind Prediction of Binding Affinities for Charged Supramolecular Host–Guest Systems: Achievements and Shortcomings of DFT-D3
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 118, Issue 12, Pages 3431-3440
Publisher
American Chemical Society (ACS)
Online
2014-03-04
DOI
10.1021/jp411616b

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